N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

C12H22N4O — CID 106962276

IUPACN-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NC2CC(C)CC(C)C2)o1
InChIInChI=1S/C12H22N4O/c1-8-4-9(2)6-10(5-8)14-12-16-15-11(17-12)7-13-3/h8-10,13H,4-7H2,1-3H3,(H,14,16)
InChIKeyGQACOIABJZFVCA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.03
Rot. Bonds4

About N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106962276) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106962276
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NC2CC(C)CC(C)C2)o1
InChIInChI=1S/C12H22N4O/c1-8-4-9(2)6-10(5-8)14-12-16-15-11(17-12)7-13-3/h8-10,13H,4-7H2,1-3H3,(H,14,16)
InChIKeyGQACOIABJZFVCA-UHFFFAOYSA-N
XLogP2.03
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106962276) is N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(NC2CC(C)CC(C)C2)o1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GQACOIABJZFVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8-4-9(2)6-10(5-8)14-12-16-15-11(17-12)7-13-3/h8-10,13H,4-7H2,1-3H3,(H,14,16).
What are the key properties of N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 238.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).